Geometry & MOs

Info

ID:	29524
PubChem CID:	834720
Reduced:	NSH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	315.147058
ΔH_f, kcal/mol:	64.74
Dipole, Da:	2.09
IP(EA), eV:	-8.11(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)CNC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations